Sugi Predict

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SCHEMBL30429487

SCHEMBL30429487

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.48
▸ RXFP1 Q9HBX9 4/20 0.44
▸ PTH1R Q03431 3/20 0.44
▸ TFPI P10646 1/20 0.43
▸ OPRL1 P41146 1/20 0.42
▸ GLP1R P43220 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ GIPR P48546 1/20 0.41
▸ TLR2 O60603 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29777755 0.90 BACE1 (0.51) BACE1RXFP1PTH1RTFPIGLP1R
SCHEMBL29680218 0.88 OPRL1 (0.47) BACE1TFPIOPRL1
SCHEMBL30900997 0.86 BACE1 (0.48) BACE1PTH1ROPRL1GLP1RGCGR
SCHEMBL29406776 0.86 FNTA (0.43) BACE1OPRL1
SCHEMBL29777881 0.86 RXFP1 (0.47) BACE1RXFP1PTH1RTFPIGLP1R
SCHEMBL31593373 0.85 OPRL1 (0.47) OPRL1
SCHEMBL30724874 0.85 BACE1 (0.46) BACE1RXFP1TFPIOPRL1
SCHEMBL29777767 0.85 BACE1 (0.45) BACE1RXFP1PTH1RTFPIOPRL1
SCHEMBL30358609 0.85 OPRL1 (0.49) BACE1OPRL1
SCHEMBL29939650 0.85 BACE1 (0.47) BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165951-A1 Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19 MAMEDOV TARLAN (TR) 2023-06-01 — — US disclosed
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